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3,3',5-triiodo-L-thyronine sulfate

PropertiesImage
MNX_IDMNXM730897 Image of MNXM730897
referencechebi:176511
formulaC15H11I3NO7S
global charge-1
mol weight730.032
InChIKeyXBQYQXVJBNDCGY-LBPRGKRZSA-M
InChIInChI=1S/C15H12I3NO7S/c16-9-6-8(1-2-13(9)26-27(22,23)24)25-14-10(17)3-7(4-11(14)18)5-12(19)15(20)21/h1-4,6,12H,5,19H2,(H,20,21)(H,22,23,24)/p-1/t12-/m0/s1
SMILES[NH3+][C@@H](CC1=CC(I)=C(OC2=CC=C(OS(=O)(=O)[O-])C(I)=C2)C(I)=C1)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C15H12I3NO7S/c16-9-6-8(1-2-13(9)26-27(22,23)24)25-14-10(17)3-7(4-11(14)18)5-12(19)15(20)21/h1-4,6,12H,5,19H2,(H,20,21)(H,22,23,24)/t12-/m0/s1 Image of MNXM730897
SMILES (mnx)[CH:1]1=[CH:2][C:13]([O:26][S:27]([OH:22])(=[O:23])=[O:24])=[C:9]([I:16])[CH:6]=[C:8]1[O:25][C:14]1=[C:10]([I:17])[CH:3]=[C:7]([CH2:5][C@@H:12]([C:15](=[O:20])[OH:21])[NH2:19])[CH:4]=[C:11]1[I:18]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 7
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:176511
chebi:176511
XBQYQXVJBNDCGY-LBPRGKRZSA-M 		3,3',5-triiodo-L-thyronine sulfate
3,3',5-triiodo-L-thyronine sulfate(1-)

seed.compound:cpd22938
seedM:cpd22938
XBQYQXVJBNDCGY-LBPRGKRZSA-M 		(2S)-2-amino-3-{3,5-diiodo-4-[3-iodo-4-(sulfooxy)phenoxy]phenyl}propanoic acid
3,3',5-triiodo-L-thyronine sulfate
3,5-diiodo-O-[3-iodo-4-(sulfooxy)phenyl]-L-tyrosine
L-tyrosine, 3,5-diiodo-O-(3-iodo-4-(sulfooxy)phenyl)-
triiodothyronine sulfate
triiodothyronine sulfuric ester

reactome:R-ALL-176564
reactomeM:R-ALL-176564
CHEBI:35432
chebi:35432
XBQYQXVJBNDCGY-LBPRGKRZSA-N 		3,3',5-triiodo-L-thyronine sulfate
(2S)-2-amino-3-{3,5-diiodo-4-[3-iodo-4-(sulfooxy)phenoxy]phenyl}propanoic acid
3,5-diiodo-O-[3-iodo-4-(sulfooxy)phenyl]-L-tyrosine
triiodothyronine sulfate
triiodothyronine sulfuric ester

bigg.metabolite:triodthysuf
biggM:triodthysuf
XBQYQXVJBNDCGY-LBPRGKRZSA-M 		Triiodothyronine sulfate
hmdb:HMDB0003036
XBQYQXVJBNDCGY-LBPRGKRZSA-N 		Triiodothyronine sulfate
(2S)-2-Amino-3-{3,5-diiodo-4-[3-iodo-4-(sulfooxy)phenoxy]phenyl}propanoate
(2S)-2-Amino-3-{3,5-diiodo-4-[3-iodo-4-(sulfooxy)phenoxy]phenyl}propanoic acid
(2S)-2-Amino-3-{3,5-diiodo-4-[3-iodo-4-(sulphooxy)phenoxy]phenyl}propanoate
(2S)-2-Amino-3-{3,5-diiodo-4-[3-iodo-4-(sulphooxy)phenoxy]phenyl}propanoic acid
(2S)-2-amino-3-{3,5-diiodo-4-[3-iodo-4-(sulfooxy)phenoxy]phenyl}propanoic acid
3,3',5-Triiodo-L-thyronine sulfate
3,3',5-Triiodo-L-thyronine sulfuric acid
3,3',5-Triiodo-L-thyronine sulphate
3,3',5-Triiodo-L-thyronine sulphuric acid
3,5,3'-Triiodothyronine-4-sulfate
3,5,3'-triiodo-L-Thyronine 4'-O-sulfate
3,5,3'-triiodo-L-Thyronine 4'-O-sulphate
3,5,3'-triiodo-L-Thyronine 4-O-sulfate
3,5,3'-triiodo-L-Thyronine 4-O-sulphate
3-[4-(4-Hydroxy-3-iodophenoxy-4-O-sulfate)-3,5-diiodophenyl]-L-alanine
3-[4-(4-Hydroxy-3-iodophenoxy-4-O-sulphate)-3,5-diiodophenyl]-L-alanine
O-(4-Hydroxy-3-iodophenyl-4-O-sulfate)-3,5-diiodo-L-tyrosine
O-(4-Hydroxy-3-iodophenyl-4-O-sulphate)-3,5-diiodo-L-tyrosine
T3S
Triiodothyronine sulfuric acid
Triiodothyronine sulfuric ester
Triiodothyronine sulphate
Triiodothyronine sulphuric acid
Triiodothyronine sulphuric ester
triiodothyronine sulfate

vmhM:triodthysuf
vmhmetabolite:triodthysuf
XBQYQXVJBNDCGY-LBPRGKRZSA-M 		Triiodothyronine sulfate
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol

metacyc.compound:CPD-11408
metacycM:CPD-11408
XBQYQXVJBNDCGY-LBPRGKRZSA-M 		triiodothyronine sulfate
(2S)-2-amino-3-{3,5-diiodo-4-[3-iodo-4-(sulfooxy)phenoxy]phenyl}propanoic acid
3,3',5-triiodo-L-thyronine sulfate
3,5-diiodo-O-[3-iodo-4-(sulfooxy)phenyl]-L-tyrosine
L-tyrosine, 3,5-diiodo-O-(3-iodo-4-(sulfooxy)phenyl)-
triiodothyronine sulfuric ester

hmdb:HMDB0062205
hmdb:HMDB03036
hmdb:HMDB62205
biggM:M_triodthysuf
seedM:M_cpd22938
vmhM:M_triodthysuf 		secondary/obsolete/fantasy identifier